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Substance Name: Pibrentasvir [USAN]
RN: 1353900-92-1
UNII: 2WU922TK3L
InChIKey: VJYSBPDEJWLKKJ-NLIMODCCSA-N

Note

  • Has antiviral activity.

Classification Code

  • Treatment of Hcv Infection

Molecular Formula

  • C57-H65-F5-N10-O8

Molecular Weight

  • 1113.1925
 
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Names and Synonyms

Name of Substance

  • Pibrentasvir [USAN]

Synonyms

  • A-1325912.0
  • ABT 530
  • ABT-530
  • Dimethyl N,N'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis((6-fluoro-1H-benzimidazole-5,2-diyl)((2S)-pyrrolidine-2,1-diyl)((2S,3R)-3-methoxy-1-oxobutane-1,2-diyl)))biscarbamate
  • Methyl ((2S,3R)-1-((2S)-2-(5-((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)-5-(6-fluoro-2-((2S)-1-(N-(methoxycarbonyl)-O-methyl-L-threonyl)pyrrolidin-2-yl)-1H-benzimidazol-5-yl)pyrrolidin-2-yl)-6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl)-3-methoxy-1-oxobutan-2-yl)carbamate
  • Pibrentasvir
  • UNII-2WU922TK3L

Systematic Name

  • Carbamic acid, N,N'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)-1-piperidinyl)phenyl)-2,5-pyrrolidinediyl)bis((6-fluoro-1H-benzimidazole-5,2-diyl)-(2S)-2,1-pyrrolidinediyl((1S)-1-((1R)-1-methoxyethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl ester

Registry Numbers

CAS Registry Number

  • 1353900-92-1

FDA UNII

  • 2WU922TK3L

System Generated Number

  • 1353900921

Structure Descriptors

InChI

1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1

InChIKey

VJYSBPDEJWLKKJ-NLIMODCCSA-N

Smiles

CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c2nc3cc([C@H]4CC[C@@H](N4c5cc(F)c(N6CCC(CC6)c7ccc(F)cc7)c(F)c5)c8cc9nc([nH]c9cc8F)[C@@H]%10CCCN%10C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c(F)cc3[nH]2